4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenol

C22H28N2O — CID 67555516

IUPAC4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenol
SMILESCC(C1CCCc2ccccc21)C1CNCCN1c1ccc(O)cc1
InChIInChI=1S/C22H28N2O/c1-16(20-8-4-6-17-5-2-3-7-21(17)20)22-15-23-13-14-24(22)18-9-11-19(25)12-10-18/h2-3,5,7,9-12,16,20,22-23,25H,4,6,8,13-15H2,1H3
InChIKeyZUFOAXWJELZRKY-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.93
Rot. Bonds3

About 4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenol

4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenol (PubChem CID 67555516) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenol
PubChem CID67555516
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenol
SMILESCC(C1CCCc2ccccc21)C1CNCCN1c1ccc(O)cc1
InChIInChI=1S/C22H28N2O/c1-16(20-8-4-6-17-5-2-3-7-21(17)20)22-15-23-13-14-24(22)18-9-11-19(25)12-10-18/h2-3,5,7,9-12,16,20,22-23,25H,4,6,8,13-15H2,1H3
InChIKeyZUFOAXWJELZRKY-UHFFFAOYSA-N
XLogP3.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 64832346
1-(1-phenylpiperazin-2-yl)ethanol
CID 70356757
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820
1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine
CID 64937086
4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
CID 93476534
2-methyl-1-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 116995600
2-(1-fluoropropyl)-1-phenylpiperazine
CID 140967600
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane
CID 63772764

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenol (CID 67555516) is 4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenol is CC(C1CCCc2ccccc21)C1CNCCN1c1ccc(O)cc1.
What is the InChIKey of 4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenol?
The InChIKey is ZUFOAXWJELZRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-16(20-8-4-6-17-5-2-3-7-21(17)20)22-15-23-13-14-24(22)18-9-11-19(25)12-10-18/h2-3,5,7,9-12,16,20,22-23,25H,4,6,8,13-15H2,1H3.
What are the key properties of 4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenol?
4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenol has a molecular weight of 336.48 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 67555516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).